6S17

Crystal Structure of DYRK1A with small molecule inhibitor

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0004672	molecular_function	protein kinase activity
A	0004712	molecular_function	protein serine/threonine/tyrosine kinase activity
A	0005524	molecular_function	ATP binding
A	0006468	biological_process	protein phosphorylation
A	0046777	biological_process	protein autophosphorylation

Functional Information from PDB Data

site_id	AC1
Number of Residues	6
Details	binding site for residue SO4 A 501

Chain	Residue
A	SER169
A	LYS193
A	LYS194
A	HOH668
A	HOH689
A	HOH792

---

site_id	AC2
Number of Residues	4
Details	binding site for residue SO4 A 502

Chain	Residue
A	HOH803
A	LYS264
A	ARG300
A	SER301

---

site_id	AC3
Number of Residues	8
Details	binding site for residue SO4 A 503

Chain	Residue
A	ASN144
A	GLY168
A	SER169
A	LYS191
A	LYS193
A	LYS481
A	HOH636
A	HOH663

---

site_id	AC4
Number of Residues	10
Details	binding site for residue EDO A 504

Chain	Residue
A	GLN199
A	GLN199
A	ILE202
A	ILE202
A	TYR319
A	TYR319
A	HOH620
A	HOH620
A	HOH661
A	HOH661

---

site_id	AC5
Number of Residues	7
Details	binding site for residue EDO A 505

Chain	Residue
A	THR466
A	ARG467
A	ILE468
A	GLN469
A	TYR472
A	HOH682
A	HOH774

---

site_id	AC6
Number of Residues	4
Details	binding site for residue EDO A 506

Chain	Residue
A	PRO337
A	ASP339
A	PRO464
A	LYS465

---

site_id	AC7
Number of Residues	4
Details	binding site for residue EDO A 507

Chain	Residue
A	VAL376
A	LYS422
A	LEU423
A	HIS424

---

site_id	AC8
Number of Residues	2
Details	binding site for residue EDO A 508

Chain	Residue
A	ALA382
A	HIS383

---

site_id	AC9
Number of Residues	5
Details	binding site for residue EDO A 509

Chain	Residue
A	LYS175
A	MET240
A	HOH658
A	HOH682
A	HOH774

---

site_id	AD1
Number of Residues	4
Details	binding site for residue EDO A 510

Chain	Residue
A	MET240
A	LEU241
A	CYS296
A	HOH686

---

site_id	AD2
Number of Residues	8
Details	binding site for residue KQK A 511

Chain	Residue
A	ILE165
A	PHE170
A	ALA186
A	LYS188
A	PHE238
A	GLU239
A	LEU241
A	HOH709

---

Functional Information from PROSITE/UniProt

site_id	PS00107
Number of Residues	24
Details	PROTEIN_KINASE_ATP Protein kinases ATP-binding region signature. IGKGSFGQVVkAydrveqew..........VAIK

Chain	Residue	Details
A	ILE165-LYS188

---

site_id	PS00108
Number of Residues	13
Details	PROTEIN_KINASE_ST Serine/Threonine protein kinases active-site signature. IiHcDLKpeNILL

Chain	Residue	Details
A	ILE283-LEU295

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	1
Details	Active site: {"description":"Proton acceptor","evidences":[{"source":"PubMed","id":"23665168","evidenceCode":"ECO:0000305"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	12
Details	Binding site: {"evidences":[{"evidenceCode":"ECO:0000305"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	6
Details	Modified residue: {"description":"Phosphotyrosine; by autocatalysis","evidences":[{"source":"PubMed","id":"23665168","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI4
Number of Residues	1
Details	Modified residue: {"description":"Phosphotyrosine","evidences":[{"source":"PubMed","id":"19690332","evidenceCode":"ECO:0007744"},{"source":"PubMed","id":"23186163","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI5
Number of Residues	1
Details	Modified residue: {"description":"Phosphotyrosine; by autocatalysis","evidences":[{"source":"UniProtKB","id":"Q63470","evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI6
Number of Residues	1
Details	Modified residue: {"description":"Phosphoserine; by autocatalysis","evidences":[{"source":"PubMed","id":"23665168","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI7
Number of Residues	1
Details	Modified residue: {"description":"Phosphothreonine; by autocatalysis","evidences":[{"source":"PubMed","id":"23665168","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---